UCSF

ZINC36159765

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: [cyclopropyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methylBLAHone [cyclopropyl-[(2R)-2-hydroxy-3-(…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.11 9.75 -55.74 3 6 1 80 426.562 8 ↓
Hi High (pH 8-9.5) 3.57 6.94 -52.17 2 6 0 83 425.554 8 ↓
Hi High (pH 8-9.5) 3.11 7.63 -15.04 2 6 0 78 425.554 8 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )